Exact Mass: 212.1286618
Exact Mass Matches: 212.1286618
Found 500 metabolites which its exact mass value is equals to given mass value 212.1286618,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Butabarbital
Butabarbital (trade name Butisol) is a prescription barbiturate sleep aid. Butabarbital has a particularly fast onset of effects and short duration of action compared to other barbiturates, which makes it useful for certain applications such as treating severe insomnia and relieving anxiety before surgical procedures; however it is also relatively dangerous particularly when combined with alcohol, and so is now rarely used, although it is still prescribed in some Eastern European and South American countries. Its short duration of action gives butabarbital a high abuse potential, comparable to secobarbital. [Wikipedia] D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3,3'-Dimethylbenzidine
CONFIDENCE standard compound; INTERNAL_ID 2434
BURIMAMIDE
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
Cucurbic acid
6-Epi-7-isocucurbic acid is found in nuts. 6-Epi-7-isocucurbic acid is a constituent of Vicia faba and Juglans regia (walnut). Constituent of Vicia faba and Juglans regia (walnut). 6-Epi-7-isocucurbic acid is found in pulses, nuts, and rye.
Traumatin
obtained from ripe miracle berry fruits (Thaumatococcus daniellii). Sweetener (5,000 times sweeter than sucrose), flavour enhancer for coffee, peppermint flavours etc. Permitted in EU at 50-400 ppm in chewing gum, vitamin preparations and some other sugar-free products. Use limited by slow contact and persistence of sensation Traumatin is found in tea. Traumatin is found in Thea sinensis chloroplasts Traumatin is a plant hormone produced in response to wound. Traumatin is a precursor to the related hormone traumatic acid.
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline
2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in animal foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is isolated from sardines, beef extract and hamburger, probably widely distributed in cooked food Isolated from sardines, beef extract and hamburger, probably widely distributed in cooked foods. 2-Amino-3,4-dimethylimidazo[4,5-f]quinoline is found in fishes and animal foods. D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
7-Deoxyloganetin
An iridoid monoterpenoid that is the methyl ester of 7-deoxyloganetic acid.
Dihydrojasmonic acid
9,10-Dihydrojasmonic acid is a member of Jasmonate derivatives. It is functionally related to a jasmonic acid. Dihydrojasmonic acid is a natural product found in Vicia with data available. Isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is found in many foods, some of which are pulses, broad bean, cereals and cereal products, and rye. Dihydrojasmonic acid is found in broad bean. Dihydrojasmonic acid is isolated from Vicia faba and Secale cereale (rye). Dihydrojasmonic acid is a plant growth regulator[1].
Prolylproline
Prolylproline is a dipeptide composed of proline and proline. It is an incomplete breakdown product of protein digestion or protein catabolism. Some dipeptides are known to have physiological or cell-signaling effects although most are simply short-lived intermediates on their way to specific amino acid degradation pathways following further proteolysis. It is found in urine (PMID: 3782411).
Deterrol
Deterrol is found in mushrooms. Deterrol is isolated from the mushroom Lactarius deterrimus. Isolated from the mushroom Lactarius deterrimus. Deterrol is found in mushrooms.
Vulgarole
Vulgarole is found in mugwort. Vulgarole is a constituent of oil of Artemisia vulgaris (mugwort) Constituent of oil of Artemisia vulgaris (mugwort). Vulgarole is found in mugwort.
Pyrocurzerenone
Pyrocurzerenone is a constituent of the rhizomes of Curcuma zedoaria (zedoary). Constituent of the rhizomes of Curcuma zedoaria (zedoary)
11,12-Dihydrolactaroviolin
11,12-Dihydrolactaroviolin is found in mushrooms. 11,12-Dihydrolactaroviolin is isolated from the mushroom Lactarius deterrimu Isolated from the mushroom Lactarius deterrimus. 11,12-Dihydrolactaroviolin is found in mushrooms.
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate is a constituent of Artemisia vulgaris (mugwort). Constituent of Artemisia vulgaris (mugwort)
Butethal
Butethal is only found in individuals that have used or taken this drug. It is a sedative and a hypnotic drug.Butethal binds at a distinct binding site associated with a Cl- ionopore at the GABAA receptor, increasing the duration of time for which the Cl- ionopore is open. The post-synaptic inhibitory effect of GABA in the thalamus is, therefore, prolonged. All of these effects are associated with marked decreases in GABA-sensitive neuronal calcium conductance (gCa). The net result of barbiturate action is acute potentiation of inhibitory GABAergic tone. Barbiturates also act through potent (if less well characterized) and direct inhibition of excitatory AMPA-type glutamate receptors, resulting in a profound suppression of glutamatergic neurotransmission. D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3,4-Methyleneazelaic acid
3,4-Methyleneazelaic acid belongs to the family of Branched Fatty Acids. These are fatty acids containing a branched chain.
(+)-1,2-Epoxyneomenthyl acetate
(+)-1,2-epoxyneomenthyl acetate is a member of the class of compounds known as oxepanes. Oxepanes are compounds containing an oxepane ring, which is a seven-member saturated aliphatic heterocycle with one oxygen and six carbon atoms (+)-1,2-epoxyneomenthyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-1,2-epoxyneomenthyl acetate can be found in cornmint, which makes (+)-1,2-epoxyneomenthyl acetate a potential biomarker for the consumption of this food product.
[4aR-(4aalpha,5beta,6beta,8abeta)]-Octahydro-5,6-dihydroxy-5,8a-dimethyl-2(1H)-naphthalenone
7-Methyl-4-(1-methylethyl)-1-naphthalenecarboxaldehyde
cis-(+)-2-(Ethoxymethyl)-4-hydroxy-5-(1-methylethyl)-2-cyclohexen
7-Dihydro-4-methyl-7-(1-methylethylidene)-1-azulenecarboxaldehyde
2-Benzyl-2-azabicyclo[2.2.1]heptane-6-carbonitrile
Dehydro-piliformic-acid
[Raw Data] CBA56_Dehydropilif_pos_30eV.txt [Raw Data] CBA56_Dehydropilif_pos_20eV.txt [Raw Data] CBA56_Dehydropilif_pos_10eV.txt
5,6-Dihydro-4-methoxy-6-(1-oxopentyl)-2H-pyran-2-one
(5E,7E,13E)-5,7,13-Pentadecatriene-9,11-diynal|5,7,13-Pentadecatriene-9,11-diynal|pentadeca-5t,7t,13t-triene-9,11-diynal
3-(3-methoxy-2-methyl-3-oxoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylic acid
(E,E)-1,8,10,14-Pentadecatetraene-4,6-diyn-3-ol|Pentadeca-1,8,10,14-en-4,6-diin-3-ol|pentadeca-1,8t,10t,14-tetraene-4,6-diyn-3-ol|trans.trans-Pentadecatetraen-(1.8.10.14)-diin-(4.6)-ol-(3)
5,7-Pentadecadiene-9,11,13-triyn-1-ol|pentadeca-5t,7t-diene-9,11,13-triyn-1-ol|trans-trans-Pentadecadien-(5,7)-triin-(9,11,13)-ol-(1)
(2E)-5-(3,3-dimethyloxiranyl)-3-methylpent-2-enyl acetate|(E)-3,7-Dimethyl-6,7-epoxyoct-2-enyl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-en-1-yl acetate|(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl acetate|1-methoxy-4-((3E,7E)-4,8,10-trimethylundeca-3,7,9-trienyl)benzene|epoxygeranyl acetate|trans-6,7-epoxy-3,7-dimethyl-2-octenyl acetate
(1R,4aS,6S,7R,7aS)-6-hydroxy-1-methoxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|1-O-methyl cachinol
(5E,7Z,13E)-5,7,13-Pentadecatriene-9,11-diyn-4-one|(5E,7Z,13E)-5,7,13-Pentadrcatriene-9,11-diyn-4-one|pentadeca-trans-2,cis-8,trans-10-triene-4,6-diyn-12-one
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate
3,5-dihydroxy-2-methoxy-8-methylnona-2,6-diene 1,4-lactone
2-(2-Hydroxy-4-methylphenyl)-2-methoxypropane-1,3-diol
rel-(2R,3S,4aR,7S,7aR)-hexahydro-3-hydroxy-7-methyl-2-[(1E)-prop-1-en-1-yl]-5H-furo[3,4-b]pyran-5-one|theissenolactone A
1beta-methoxy-7beta-hydroxy-7alpha-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carbaldehyde|campsinol
(4beta,8beta)-8-methoxy-3-methoxy-10-methylene-2,9-dioxatricyclo[4.3.1.03,7]decan-4-ol
(E,E)-10-Hydroxy-3,7-dimethyl-2,6-decadienoic acid|3,7-dimethyl-10-hydroxy-2E,6E-decadienoic acid|trans,trans-10-Hydroxy-3,7-dimethyl-decadien-(2,6)-saeure
4-Hydroxy-2-isopropenyl-5-methylhex-5-enyl acetate
1,3,3-trimethyl-2-oxabicyclo[2,2,2]oct-5-yl acetate
(E,E,)-1,8,10-Pentadecatriene-4,6-diyn-3-one|pentadeca-1,8t,10t-triene-4,6-diyn-3-one
(2E,4R,5S)-2-ethylidene-5-(methoxycarbonyl)-4-methylhexano-5-lactone|(2S,3R,5E)-5-ethylidenetetrahydro-2,3-dimethyl-6-oxo-2H-pyran-2-carboxylic acid methyl ester|(4R,5S)-2-<(E)-ethylidene>-5-methoxycarbonyl-4-methyl-5-hexanolide
4-acetoxy-3-(3,3-dimethyl-oxiranylmethyl)-2-methyl-but-1-ene
3-Isopropyl-6-hydroxy-1,6-trimethylenepiperazine-2,5-dione
Depudecin
Depudecin is a polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a fungal metabolite. (-)-Depudecin is a natural product found in Alternaria brassicicola and Xylaria with data available. Depudecin is depudecin is a fungal metabolite that reverts the rounded phenotype of NIH 3T3 fibroblasts transformed with v-ras and v-src oncogenes to the flattened phenotype of the non-transformed parental cells. The mechanism of de-transformation induced by this agent had not been determined. However, depudecin has been demonstrated to inhibit histone deacetylase (HDAC) activity effectively both in vivo and in vitro. A polyketide obtained from the fungus Alternaria brassicicola and having a highly unusual structure of an 11-carbon chain containing two epoxides and six stereogenic centres. It is an inhibitor of histone deacetylase (HDAC) both in vivo and in vitro and also exhibits anti-angiogenic activity.
2-(6-hydroxy-6-methylheptyl)-2H-furan-5-one
butabarbital
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
Butethal
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D006993 - Hypnotics and Sedatives N - Nervous system > N05 - Psycholeptics > N05C - Hypnotics and sedatives > N05CA - Barbiturates, plain C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C67084 - Barbiturate
3-Ethenyl-4-hydroxy-2,5-dimethylhex-5-en-2-yl acetate
2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
3,3-((OXYBIS(ETHANE-2,1-DIYL))BIS(OXY))DIPROPANENITRILE
6-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
tert-Butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
(7R,9AS)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
Silane, [(2-ethoxy-1-methoxycyclopropyl)ethynyl]trimethyl-, (1R-cis)- (9CI)
C11H20O2Si (212.12325000000004)
1-ethyl-2,3-dimethylimidazol-3-ium,tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
2-Oxabicyclo[2.2.1]heptane-1-carboxylicacid,4,7,7-trimethyl-3-oxo-,hydrazide(9CI)
5-(2-Piperidin-1-yl-ethyl)-[1,3,4]thiadiazol-2-yl-amine
Atipamezole
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists Atipamezole (MPV 1248) is a potent α2-adrenoceptor antagonist with a Ki of 1.6 nM[1].
1,3,5,7-Tetraazabicyclo[3.3.1]nonane,3,7-diacetyl-
C9H16N4O2 (212.12731960000002)
tert-butyl (2S)-2-carbamoyl-2,3-dihydropyrrole-1-carboxylate
(R)CYANO(3-PHENOXYPHENYL)-3-(2,2-DICHLOROETHENYL)2,2-DIMETHYLCYCLOPROPANECARBOXYLICACIDMETHYLESTER
1-(Cyanomethyl)piperidinium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
5-amino-1-(2,4-dimethylphenyl)-1H-pyrazole-4-carbonitrile
2-amino-2-cyano-N-(2-morpholin-4-ylethyl)acetamide
C9H16N4O2 (212.12731960000002)
5-(1-METHYL-1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
(4R,5R)-2,2-DIMETHYL-1,3-DIOXOLANE-4,5-DICARBOXYLICACIDDIMETHYLESTER
C11H20O2Si (212.12325000000004)
(7R,9AR)-METHYL 1-OXOOCTAHYDRO-1H-PYRIDO[1,2-A]PYRAZINE-7-CARBOXYLATE
1-(3-Pyridinyl)cyclohexanamine hydrochloride (1:1)
1-(2-Pyridinyl)cyclohexanamine hydrochloride (1:1)
N-ETHYL-1,2,3,4-TETRAHYDRO-7-QUINOLINAMINE HYDROCHLORIDE
(2-METHYLBENZYL)(4-PYRIDINYLMETHYL)AMINE HYDROCHLORIDE
(3S,6S,8AS)-METHYL 6-AMINO-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE
3-Phenyl-5,6,7,8-tetrahydro-pyrido[4,3-e][1,2,4]triazine
[(1R,3S,4R)-3-Hydroxy-4,7,7-trimethylbicyclo[2.2.1]hept-2-yl]acet ic acid
6-amino-5-(butylamino)-1-methylpyrimidine-2,4-dione
C9H16N4O2 (212.12731960000002)
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-1-ethyl-3-propyl- (9CI)
C9H16N4O2 (212.12731960000002)
ergoline
An indole alkaloid whose structural skeleton is found in many naturally occurring and synthetic ergolines which are known to bind to neurotransmitter receptors, such as dopamine, noradrenaline and serotonin receptors and function as unselective agonists or antagonists at these receptors.
5-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
(4-Isopropyl-1-methyl-7,8-dioxa-bicyclo[3.2.1]-octan-6-yl)methyl ketone
6-Acetyl-4-exo-isopropyl-1-methyl-7,8-dioxabicyclo[3.2.1]octane
3-(N-BOC-AMINOMETHYL)-5-METHYL-4H-1,2,4-TRIAZOLE
C9H16N4O2 (212.12731960000002)
5-BENZYL-4,5,6,7-TETRAHYDRO-1H-PYRROLO[3,2-C]PYRIDINE
1-propylene-3-methylimidazolium tetrafluoroborate
C7H13BF4N2 (212.11078559999999)
1-(2,3-EPOXYPROPYL)-4-TERT-BUTOXYCARBONYLPIPERAZINE
tert-Butyl 3-cyano-3-hydroxypyrrolidine-1-carboxylate
5,6-diamino-1-butyl-3-methylpyrimidine-2,4-dione
C9H16N4O2 (212.12731960000002)
1H-Imidazole,4-(6-ethyl-2,3-dihydro-1H-inden-1-yl)-(9CI)
(2R)-N-[(2R)-2-(Dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-N-[(5R)-5-(dihydroxyboryl)-1-L-prolylpyrrolidin-2-YL]-L-prolinamide
5-amino-3-ethyl-1-phenyl-1H-pyrazole-4-carbonitrile
(E)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid
[3-Methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
(S)-2-[4-(Aminomethyl)-1h-1,2,3-Triazol-1-Yl]-4-Methylpentanoic Acid
C9H16N4O2 (212.12731960000002)
[2-(3,4-Dihydroxyphenyl)-2-hydroxyethyl]-trimethylammonium
2H-Pyran-3-ol, 6-ethenyltetrahydro-2,2,6-trimethyl-, 3-acetate, (3R,6R)-rel-
MeIQ
D009676 - Noxae > D002273 - Carcinogens D009676 - Noxae > D009153 - Mutagens
BURIMAMIDE
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents
12-oxo-9(Z)-dodecenoic acid
A C12, omega-oxo fatty acid with a double bond at position 9; found in soybean, a metabolite of both linolenic and linoleic acids.
12-Oxo-trans-10-dodecenoic acid
A monounsaturated fatty acid comprising dodecanoic acid having a trans-double bond at the 10-position and a 12-oxo group.
4-methyl-7-(prop-1-en-2-yl)-6,7-dihydroazulene-1-carbaldehyde
[(1r,2r,3s)-3-hydroxy-2-[(2z)-pent-2-en-1-yl]cyclopentyl]acetic acid
(5r)-5-[(1r,3s,4r)-3-hydroxy-4-methylcyclohexyl]-5-methyloxolan-2-one
3-ethoxy-7,7-dimethyl-hexahydro-2-benzofuran-5-one
10,10-dimethyl-4-oxatricyclo[7.4.1.0³,⁷]tetradeca-1,3(7),5,8,12-pentaene
(6e,8r,10r)-8-hydroxy-10-propyl-3,4,5,8,9,10-hexahydrooxecin-2-one
2-hydroxy-2-methyl-6-methylideneoct-7-en-3-yl acetate
4-hydroxy-3-methyl-6-(4-methylpentyl)-5,6-dihydropyran-2-one
2-(ethoxymethyl)-4-hydroxy-5-isopropylcyclohex-2-en-1-one
(2s,3s,5s)-2,3-bis(hydroxymethyl)-5-(3-methylbut-2-en-1-yl)cyclopentan-1-one
(5e,7e,13e)-pentadeca-5,7,13-trien-9,11-diyn-4-one
1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac
{"Ingredient_id": "HBIN000852","Ingredient_name": "1,2-epoxy-p-menthan-3-ol; (1s,2r,3s,4s)-form,ac","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9575","PubChem_id": "NA","DrugBank_id": "NA"}
1-Acetyl-4,6,8-trimethylazulene
{"Ingredient_id": "HBIN002254","Ingredient_name": "1-Acetyl-4,6,8-trimethylazulene","Alias": "1-(4,6,8-trimethylazulen-1-yl)ethanone; 1-(4,6,8-Trimethyl-1-azulenyl)ethanone","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC1=CC(=C2C=CC(=C2C(=C1)C)C(=O)C)C","Ingredient_weight": "212.29 g/mol","OB_score": "27.02153399","CAS_id": "NA","SymMap_id": "SMIT07226","TCMID_id": "NA","TCMSP_id": "MOL005474","TCM_ID_id": "NA","PubChem_id": "607590","DrugBank_id": "NA"}
2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl
{"Ingredient_id": "HBIN004104","Ingredient_name": "2(3h)-phenanthrenone,4,4a,9,10-tetrahydro-4a-methyl","Alias": "NA","Ingredient_formula": "C15H16O","Ingredient_Smile": "CC12CCC(=O)C=C1CCC3=CC=CC=C23","Ingredient_weight": "212.29 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "9068","PubChem_id": "607587","DrugBank_id": "NA"}
α,α,5-Trimethyl-5-ethenyl-2-furanmethanol
{"Ingredient_id": "HBIN015343","Ingredient_name": "\u03b1,\u03b1,5-Trimethyl-5-ethenyl-2-furanmethanol","Alias": "NA","Ingredient_formula": "C12H20O3","Ingredient_Smile": "CC(=O)OC(C)(C)C1CCC(O1)(C)C=C","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "41899","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}